HRID106594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

结构：COc1c(Br)c(I)c(C)c(C(N)=O)c1NC(=O)C(C)(C)C

HCID86630796

未命名化合物

PRODUCTS

生成物

结构：COc1c(Br)c(I)c(C)c(C#N)c1NC(=O)C(C)(C)C

HCID86630795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fff43c65cb447449f6ed7c499bf5fee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([NH:13][C:14]([C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[c:5]([C:6](=[O:7])[NH2:8])[c:9]([CH3:12])[c:10]1[I:11].[CH3:38][N:39]([CH3:40])[c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1.[ClH:37].[F:22][C:23]([F:24])([F:25])[S:26]([O:27][S:28]([C:29]([F:30])([F:31])[F:32])(=[O:33])=[O:34])(=[O:35])=[O:36].[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[Br:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([NH:13][C:14]([C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[c:5]([C:6]#[N:8])[c:9]([CH3:12])[c:10]1[I:11]